Mol:LBPR02030005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 34 0 0 0 0 0 0 0 0999 V2000 2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 5 10 1 0 0 0 0 4 7 1 0 0 0 0 1 6 1 0 0 0 0 5 32 2 0 0 0 0 8 33 2 0 0 0 0 10 11 1 0 0 0 0 9 12 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 14 20 1 0 0 0 0 18 21 1 0 0 0 0 12 13 1 0 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 S SKP 5 ID LBPR02030005 FORMULA C31H40O2 EXACTMASS 444.302830524 AVERAGEMASS 444.64810000000006 SMILES O=c(c21)c(C)c(CC=C(C)CCC=C(C)CCC=C(CCC=C(C)C)C)c(=O)c1cccc2 M END